CAS 2096339-46-5: B-[2-Chloro-5-(3-pyridinylmethoxy)-4-(trifluoromethoxy)phenyl]boronic acid

Description: B-[2-Chloro-5-(3-pyridinylmethoxy)-4-(trifluoromethoxy)phenyl]boronic acid is a boronic acid derivative characterized by its unique molecular structure, which includes a boron atom bonded to a phenyl group that is further substituted with a chloro group and a trifluoromethoxy group. The presence of the pyridinylmethoxy moiety enhances its potential for biological activity, making it of interest in medicinal chemistry, particularly in the development of pharmaceuticals targeting specific biological pathways. This compound is likely to exhibit properties typical of boronic acids, such as the ability to form reversible covalent bonds with diols, which is useful in various applications including drug design and molecular recognition. Additionally, the trifluoromethoxy group may impart unique electronic properties, influencing the compound's reactivity and solubility. Overall, this substance is a complex organic molecule with potential applications in both research and therapeutic contexts, particularly in the fields of oncology and biochemistry.

Formula: C₁₃H₁₀BClF₃NO₄

InChI: InChI=1S/C13H10BClF3NO4/c15-10-5-12(23-13(16,17)18)11(4-9(10)14(20)21)22-7-8-2-1-3-19-6-8/h1-6,20-21H,7H2

InChI key: InChIKey=HILGEFZBTTXWBZ-UHFFFAOYSA-N

SMILES: FC(F)(F)OC1=CC(Cl)=C(C=C1OCC=2C=NC=CC2)B(O)O

Synonyms:

• Boronic acid, B-[2-chloro-5-(3-pyridinylmethoxy)-4-(trifluoromethoxy)phenyl]-
• B-[2-Chloro-5-(3-pyridinylmethoxy)-4-(trifluoromethoxy)phenyl]boronic acid

[2-Chloro-5-(pyridin-3-ylmethoxy)-4-(trifluoromethoxy)phenyl]boronic acid

CAS: 2096339-46-5

• Purity: 97%
• Molecular weight: 347.4800109863281

[2-Chloro-5-(pyridin-3-ylmethoxy)-4-(trifluoromethoxy)phenyl]boronic acid

CAS: 2096339-46-5

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• Formula: C₁₃H₁₀BClF₃NO₄
• Purity: Min. 95%
• Molecular weight: 347.48 g/mol